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BDBM50085682 4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole::CHEMBL30955

SMILES: C1Cc2ccsc2C(=C1)c1cnc[nH]1

InChI Key: InChIKey=VXOQWXOKZCWYOS-UHFFFAOYSA-N

Data: 7 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50085682   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50085682
PNG
(4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole...)
Show SMILES C1Cc2ccsc2C(=C1)c1cnc[nH]1
Show InChI InChI=1S/C11H10N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h3-7H,1-2H2,(H,12,13)
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UniProtKB/SwissProt

GoogleScholar
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CHEMBL
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PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


J Med Chem 43: 765-8 (2000)


Article DOI: 10.1021/jm990569e
BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50085682
PNG
(4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole...)
Show SMILES C1Cc2ccsc2C(=C1)c1cnc[nH]1
Show InChI InChI=1S/C11H10N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h3-7H,1-2H2,(H,12,13)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


J Med Chem 43: 1423-6 (2001)


Article DOI: 10.1021/jm000128r
BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50085682
PNG
(4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole...)
Show SMILES C1Cc2ccsc2C(=C1)c1cnc[nH]1
Show InChI InChI=1S/C11H10N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h3-7H,1-2H2,(H,12,13)
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UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem
Article
PubMed
224n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
in vitro alpha-2A adrenergic receptor binding assay from rats ,using RX 821002 as the displaceable ligand


J Med Chem 43: 1423-6 (2001)


Article DOI: 10.1021/jm000128r
BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50085682
PNG
(4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole...)
Show SMILES C1Cc2ccsc2C(=C1)c1cnc[nH]1
Show InChI InChI=1S/C11H10N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h3-7H,1-2H2,(H,12,13)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
224n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2A adrenergic receptor


J Med Chem 43: 765-8 (2000)


Article DOI: 10.1021/jm990569e
BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50085682
PNG
(4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole...)
Show SMILES C1Cc2ccsc2C(=C1)c1cnc[nH]1
Show InChI InChI=1S/C11H10N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h3-7H,1-2H2,(H,12,13)
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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
399n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested for Binding affinity towards alpha-1 adrenergic receptor


J Med Chem 43: 765-8 (2000)


Article DOI: 10.1021/jm990569e
BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50085682
PNG
(4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole...)
Show SMILES C1Cc2ccsc2C(=C1)c1cnc[nH]1
Show InChI InChI=1S/C11H10N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h3-7H,1-2H2,(H,12,13)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
940n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested for Binding affinity towards alpha-2B adrenergic receptor


J Med Chem 43: 765-8 (2000)


Article DOI: 10.1021/jm990569e
BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50085682
PNG
(4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole...)
Show SMILES C1Cc2ccsc2C(=C1)c1cnc[nH]1
Show InChI InChI=1S/C11H10N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h3-7H,1-2H2,(H,12,13)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
940n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
in vitro alpha-2B adrenergic receptor binding assay from rats ,using RX 821002 as the displaceable ligand


J Med Chem 43: 1423-6 (2001)


Article DOI: 10.1021/jm000128r
BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair